Article
Thermodynamics
Qisheng Feng, Mingrui Lv, Lu Mao, Guangyao Chen, Xingli Zou, Xionggang Lu, Chonghe Li
Summary: In this study, the thermodynamic properties of the ZrO2-TiO2-SrO ceramic system were investigated through experiments and calculations. A self-consistent set of thermodynamic parameters was obtained and used to calculate the isothermal sections and liquidus surface projection, showing good agreement with experimental data.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Bo Zhou, Dong Ding, Ye Wang, Shaofan Fang, Zexiang Liu, Jian Tang, Henan Li, Haizhe Zhong, Bingbing Tian, Yumeng Shi
Summary: This study demonstrates a water/DMSO/DMF system for the synthesis of all-inorganic cesium lead bromide perovskites, effectively addressing the solubility issue of CsBr in polar aprotic solvents. Reversible phase transitions between Cs4PbBr6, CsPbBr3 and CsPb2Br5 are achieved by solely changing the water content, enabling the recycle of the mother solution without generating additional hazardous waste.
ADVANCED OPTICAL MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Chuan Mo, Wenlin Mo, Peng Zhou, BaiXue Bian, Yong Du, Tao Fa, Pengguo Zhang, Ruiwen Li, Yanzhi Zhang, Changsheng Zhang, Yuanhua Xia, Xiaolin Wang
Summary: The phase equilibria and thermodynamic properties of the U-Nb system were investigated through experiments and thermodynamic modeling, revealing detailed equilibrium phases and confirming the occurrence of specific reactions. The experimental findings clarified disputes between different theories and provided a reassessment of the U-Nb phase diagram, with self-consistent thermodynamic parameters developed that reasonably agree with experimental observations.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Senlin Cui, Matthew Lynn, Ralph E. Napolitano
Summary: The thermodynamics of the Pt-Sn system were investigated by experiments and a critical evaluation of literature data, leading to thermodynamic assessments using the CALPHAD approach. The modeling results compared favorably with reliable experimental data, providing a good representation of phase equilibria and thermodynamic properties in this system.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Beilei Liao, Xuemei Ouyang, Huaxuan Li, Fucheng Yin, Zhi Li, Bingbing Yin, Jingxian Hu, Weibing Zhang
Summary: The phase equilibria of the Co-Al-Mo ternary system were investigated through experimental analysis and thermodynamic modeling. The isothermal sections of the system at 1150 and 900 degrees C were constructed using various analytical techniques and a new ternary compound r phase was identified. The thermodynamic modeling of the system was developed using the CALPHAD technique, and a set of self-consistent thermodynamic parameters was obtained with good agreement between experimental and calculated results.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Jiaxing Sun, Cuiping Guo, Changrong Li, Zhenmin Du
Summary: The liquidus surface projection and isothermal sections at 1100 and 1000 degrees C of the Co-Nb-Zr system were constructed. Six primary solidification areas were obtained in the liquidus surface projection, and four primary solidification areas were deduced from the binary phase diagram. Three three-phase regions at 1100 degrees C and five three-phase regions at 1000 degrees C were determined in the isothermal sections. A thermodynamic description of the Co-Nb-Zr system was established using the CALPHAD method, and reasonable models were proposed for the intermetallic phases.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2023)
Review
Materials Science, Multidisciplinary
Christopher J. Bartel
Summary: This review discusses the fundamentals of calculating thermodynamic stability using first-principles methods. It covers stability with respect to decomposition into competing phases and stability with respect to phase transition into alternative structures at fixed composition. The state-of-the-art and practical considerations for each topic are summarized. The application of machine learning to stability predictions is also addressed. Finally, the limitations of thermodynamic stability predictions in predicting materials synthesizability are discussed.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Edouard Koffi Kouassi, Max Wedjers Manouan, Eulogne Zoro, David Boa, Pierre Benigni, Hmida Zamali, Jacques Rogez, Dalila Hellali
Summary: The study focuses on the thermochemical properties and phase diagrams of alkali nitrate mixtures for thermal storage systems, with a critical analysis of phases and proposing reliable phase change data for pure nitrates. Differential thermal analysis and X-ray diffraction techniques are utilized to investigate the systems, revealing eutectic reactions and polymorphic transitions. By combining experimental data and utilizing the Calphad approach, a reasonable agreement is obtained between calculated results and experimental data, optimizing thermodynamic parameters in the ternary system.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Wenjie Wei, Wei Chen, Yaping Wang, Zhanmin Cao
Summary: The Al-Sb-Sn ternary system was studied using experimental measurement and thermodynamic modeling. Differential Scanning Calorimetry (DSC) was used to measure the three vertical cross-sections of Al-SnSb, Sn-AlSb, and Sb-AlSn. The thermodynamic modeling of the Al-Sb-Sn ternary system was carried out based on the Calculation of Phase Diagram (CALPHAD) method using the evaluated experimental data by FactSage, resulting in a set of thermodynamic model parameters consistent with the experimental data.
Article
Materials Science, Multidisciplinary
Chuan Mo, Wenlin Mo, Baixue Bian, Peng Zhou, Yong Du, Tao Fa, Xiaolin Wang
Summary: The U-Ti binary system was investigated to determine phase equilibria, reaction temperatures, and composition using experimental measurements and thermodynamic modeling. By considering experimental findings and literature data, self-consistent thermodynamic parameters were obtained that were in good agreement with experimental results.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Thermodynamics
Xudong Si, Shuhong Liu, Xiaojing Li, Chenying Shi, Yuling Liu, Yong Du, Zhihong Zhang
Summary: The Mn-Zr binary system was studied through experimental measurements and thermodynamic calculations, revealing the homogeneity range of ZrMn2 and the solubility of different phases. The invariant reaction temperatures of liquid -> ZrMn2 + (beta Zr) and (beta Zr) -> ZrMn2 + (alpha Zr) were determined. The thermodynamic assessment conducted in this study showed that the calculated results align well with experimental data.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
A. Tosolin, J. -F. Vigier, S. Mastromarino, R. J. M. Konings, L. Luzzi, O. Benes
Summary: In this study, the phase equilibria in the ThF4-PuF3 system were measured using differential scanning calorimetry. The formation of intermediate compounds and solid solutions was investigated by X-ray diffraction. A thermodynamic model based on the CALPHAD approach was developed and showed a good fit between the measurements and calculated phase equilibria.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Physical
Cuiping Wang, Xiaodong Chen, Peng Yang, Qianqian Zhang, Shuiyuan Yang, Yong Lu, Yihui Guo, Xingjun Liu
Summary: The phase equilibrium of the Al-Co-Ta ternary system at two temperatures was experimentally determined using electron probe microanalysis, scanning electron microscopy, and X-ray diffraction. The addition of Al stabilizes a specific phase and forms a broad phase region in the Al-Co-Ta ternary isothermal sections. A thermodynamic assessment was conducted, and reliable thermodynamic parameters for the system were obtained, showing good agreement with experimental data.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Thermodynamics
Xiuxiu Yang, Shuangshuang Gu, Yafei Guo, Tianlong Deng, Dan Li, Lingzong Meng
Summary: Solubilities, refractive indices, and pH values in the LiBO2 - Li2B4O7 - H2O and Li2SO4 - LiBO2 - Li2B4O7 - H2O systems were studied using the isothermal dissolution equilibrium method. The phase diagrams of the ternary and quaternary systems were determined, and the physicochemical properties were found to change with the concentration of lithium metaborate. By fitting the lacking Pitzer mixing parameters, the calculated solubilities in the quaternary system were able to describe the experimental values, despite the inaccuracy of assuming only two boron species in the solution.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Thermodynamics
Liping Xu, Xiangbiao Shi, Dechen Xia, Dandan Huang, Hongqun Tang
Summary: The phase equilibria of the Al-Er binary system were investigated through experiments and CALPHAD assessment. The existence of the Al3Er phase and the metastability of the Al17Er2 phase were confirmed. A set of self-consistent thermodynamic parameters for the system was established, and the calculated phase diagram and thermodynamic properties agreed well with the available data. The artificial inverted liquid-liquid miscibility gap at high temperature in the previous evaluation was removed.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Engineering, Chemical
Hariharan Thangappan, Arjun Valiya Parambathu, Shiny Joseph
DESALINATION AND WATER TREATMENT
(2016)
Article
Green & Sustainable Science & Technology
P. Karthic, Shiny Joseph, Naveenji Arun, S. Kumaravel
JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY
(2013)
Article
Green & Sustainable Science & Technology
P. Karthic, Shiny Joseph, Naveenji Arun, Lity Alen Varghese, A. Santhiagu
JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY
(2013)
Article
Materials Science, Multidisciplinary
Aiswarya K. Sidharthan, Shiny Joseph
Article
Engineering, Environmental
S. Nivedita, Shiny Joseph
Summary: This work focuses on the utilization of a PCL-based membrane for treating dairy wastewater for the first time. The membrane exhibited good chlorine tolerance and was successful in protein separation, with a high percentage rejection of proteins achieved in the milk sample.
WATER SCIENCE AND TECHNOLOGY
(2021)
Article
Green & Sustainable Science & Technology
K. Aiswarya Sidharthan, Shiny Joseph
Summary: This study synthesized a polyvinyl alcohol-based sodium ion conducting membrane working in an alkaline medium and compared its performance with other types of membranes in direct methanol fuel cells. The results showed that the polyvinyl alcohol-titanium dioxide membrane has a higher power density in alkaline environments.
SUSTAINABLE ENERGY TECHNOLOGIES AND ASSESSMENTS
(2022)
Article
Multidisciplinary Sciences
Lovey Jacob, Shiny Joseph, Lity Alen Varghese
ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
(2020)
Article
Engineering, Chemical
Jacob Lovey, Shiny Joseph, Varghese Lity Alen
DESALINATION AND WATER TREATMENT
(2020)
Article
Multidisciplinary Sciences
S. Nivedita, Shiny Joseph
ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
(2020)
Proceedings Paper
Materials Science, Multidisciplinary
K. Aiswarya Sidharthan, Shiny Joseph
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS (ICAM 2019)
(2019)
Proceedings Paper
Materials Science, Multidisciplinary
K. Ambili, Shiny Joseph, Aiswarya Sidharthan
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS (ICAM 2019)
(2019)
Article
Engineering, Environmental
S. Nivedita, Shiny Joseph
JOURNAL OF WATER PROCESS ENGINEERING
(2018)
Review
Biotechnology & Applied Microbiology
P. Karthic, Shiny Joseph
RESEARCH JOURNAL OF BIOTECHNOLOGY
(2012)